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PUBCHEM-ZINC05817453

 MMsINC code: MMs03396666
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCC1)C(C)C
InChI:   InChI=1/C10H18N2O3/c1-7(2)8(9(13)14)11-10(15)12-5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=15.3999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.77731  SlogP: 0.901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925717  Sterimol/B1: 2.33633  Sterimol/B2: 2.88557  Sterimol/B3: 4.04762
  Sterimol/B4: 5.23388  Sterimol/L: 12.8532 
 
 Surface and Volume Properties
  Accessible surface: 438.028  Positive charged surface: 321.17  Negative charged surface: 116.858  Volume: 212.25
  Hydrophobic surface: 294.473  Hydrophilic surface: 143.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03396667
PUBCHEM-ZINC05817453